[(2S)-2,3-dihydro-1H-indol-2-yl]-(5-ethyl-2-methylmorpholin-4-yl)methanone

C16H22N2O2 — CID 61156453

IUPAC[(2S)-2,3-dihydro-1H-indol-2-yl]-(5-ethyl-2-methylmorpholin-4-yl)methanone
SMILESCCC1COC(C)CN1C(=O)[C@@H]1Cc2ccccc2N1
InChIInChI=1S/C16H22N2O2/c1-3-13-10-20-11(2)9-18(13)16(19)15-8-12-6-4-5-7-14(12)17-15/h4-7,11,13,15,17H,3,8-10H2,1-2H3/t11?,13?,15-/m0/s1
InChIKeyPKJBCCXHVCPCFT-HGMXIMQMSA-N
MW274.36 g/mol
LogP2.05
Rot. Bonds2

About [(2S)-2,3-dihydro-1H-indol-2-yl]-(5-ethyl-2-methylmorpholin-4-yl)methanone

[(2S)-2,3-dihydro-1H-indol-2-yl]-(5-ethyl-2-methylmorpholin-4-yl)methanone (PubChem CID 61156453) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is [(2S)-2,3-dihydro-1H-indol-2-yl]-(5-ethyl-2-methylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name[(2S)-2,3-dihydro-1H-indol-2-yl]-(5-ethyl-2-methylmorpholin-4-yl)methanone
PubChem CID61156453
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name[(2S)-2,3-dihydro-1H-indol-2-yl]-(5-ethyl-2-methylmorpholin-4-yl)methanone
SMILESCCC1COC(C)CN1C(=O)[C@@H]1Cc2ccccc2N1
InChIInChI=1S/C16H22N2O2/c1-3-13-10-20-11(2)9-18(13)16(19)15-8-12-6-4-5-7-14(12)17-15/h4-7,11,13,15,17H,3,8-10H2,1-2H3/t11?,13?,15-/m0/s1
InChIKeyPKJBCCXHVCPCFT-HGMXIMQMSA-N
XLogP2.05
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(2S)-2,3-dihydro-1H-indol-2-yl]-(5-ethyl-2-methylmorpholin-4-yl)methanone with MolForge

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Related Compounds

[(2S)-2,3-dihydro-1H-indol-2-yl]-(3-ethylmorpholin-4-yl)methanone
CID 61155795
2,3-dihydro-1H-indol-2-yl-(2-ethylpyrrolidin-1-yl)methanone
CID 76895259
2,3-dihydro-1H-indol-2-yl-(2-ethyl-5-methylpyrrolidin-1-yl)methanone
CID 83228185
2,3-dihydro-1H-indol-2-yl-(2-methyl-1,4-oxazepan-4-yl)methanone;hydrochloride
CID 120630609
[(2R,5S)-5-ethyl-2-methylmorpholin-4-yl]-phenylmethanone
CID 95358527
(5-ethyl-2-methylmorpholin-4-yl)-(4-methylpiperidin-2-yl)methanone
CID 114422854
cyclopropyl-(5-ethyl-2-methylmorpholin-4-yl)methanone
CID 60645279
2,3-dihydro-1H-indol-2-yl-(3-methylpyrrolidin-1-yl)methanone
CID 76895982
(2-bromophenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone
CID 60628169
[(2S)-2,3-dihydro-1H-indol-2-yl]-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 107220795
2-[1-[(2S)-2,3-dihydro-1H-indole-2-carbonyl]pyrrolidin-2-yl]acetic acid
CID 61371354
2,3-dihydro-1H-indol-2-yl-(4-ethyl-3-methylpiperazin-1-yl)methanone
CID 77002717

Frequently Asked Questions

What is the IUPAC name of [(2S)-2,3-dihydro-1H-indol-2-yl]-(5-ethyl-2-methylmorpholin-4-yl)methanone?
The IUPAC name of [(2S)-2,3-dihydro-1H-indol-2-yl]-(5-ethyl-2-methylmorpholin-4-yl)methanone (CID 61156453) is [(2S)-2,3-dihydro-1H-indol-2-yl]-(5-ethyl-2-methylmorpholin-4-yl)methanone.
What is the SMILES notation for [(2S)-2,3-dihydro-1H-indol-2-yl]-(5-ethyl-2-methylmorpholin-4-yl)methanone?
The canonical SMILES for [(2S)-2,3-dihydro-1H-indol-2-yl]-(5-ethyl-2-methylmorpholin-4-yl)methanone is CCC1COC(C)CN1C(=O)[C@@H]1Cc2ccccc2N1.
What is the InChIKey of [(2S)-2,3-dihydro-1H-indol-2-yl]-(5-ethyl-2-methylmorpholin-4-yl)methanone?
The InChIKey is PKJBCCXHVCPCFT-HGMXIMQMSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-3-13-10-20-11(2)9-18(13)16(19)15-8-12-6-4-5-7-14(12)17-15/h4-7,11,13,15,17H,3,8-10H2,1-2H3/t11?,13?,15-/m0/s1.
What are the key properties of [(2S)-2,3-dihydro-1H-indol-2-yl]-(5-ethyl-2-methylmorpholin-4-yl)methanone?
[(2S)-2,3-dihydro-1H-indol-2-yl]-(5-ethyl-2-methylmorpholin-4-yl)methanone has a molecular weight of 274.36 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2,3-dihydro-1H-indol-2-yl]-(5-ethyl-2-methylmorpholin-4-yl)methanone is sourced from PubChem (CID 61156453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).